3-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine iodide

Systemtic Name: 3-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine iodide Openeye Name: 3-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine iodide CAS Name: 3-[(4,4-dimethyl-1-piperazin-4-iumyl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine iodide IUPAC Name: 3-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine iodide Traditional Name: 3-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine iodide Formula: C21H28IN3 MolecularWeight: 449.37159

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CC2=CC3=C(C=C2)NC4=CC=CC=C4CC3)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)CC2=CC3=C(C=C2)NC4=CC=CC=C4CC3)C.[I-]

InChI

InChI=1S/C21H28N3.HI/c1-24(2)13-11-23(12-14-24)16-17-7-10-21-19(15-17)9-8-18-5-3-4-6-20(18)22-21;/h3-7,10,15,22H,8-9,11-14,16H2,1-2H3;1H/q+1;/p-1